1-(Benzylsulfanyl)-4-Nitrobenzene
[CAS# 27691-43-6]

Identification

• Name: 1-(Benzylsulfanyl)-4-Nitrobenzene
• Synonyms: 1-Nitro-4-(Phenylmethylthio)Benzene; 1-(Benzylthio)-4-Nitro-Benzene; Zinc01399494
• Molecular Formula: C₁₃H₁₁NO₂S
• Molecular Weight: 245.30
• CAS Registry Number: 27691-43-6
• SMILES: C1=CC(=CC=C1SCC2=CC=CC=C2)[N+](=O)[O-]
• InChI: 1S/C13H11NO2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
• InChIKey: OIWYQDTUUYUAOX-UHFFFAOYSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 399.785°C at 760 mmHg (Cal.)
• Flash point: 195.583°C (Cal.)